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Details

Stereochemistry ACHIRAL
Molecular Formula C12H18O
Molecular Weight 178.2707
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-Xylenol, 6-tert-butyl-

SMILES

CC1=C(C)C=C(C(O)=C1)C(C)(C)C

InChI

InChIKey=GDGFDAKCWRGGHW-UHFFFAOYSA-N
InChI=1S/C12H18O/c1-8-6-10(12(3,4)5)11(13)7-9(8)2/h6-7,13H,1-5H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
3,4-Xylenol, 6-tert-butyl-
Systematic Name English
2-tert-Butyl-4,5-xylenol
Systematic Name English
Phenol, 2-(1,1-dimethylethyl)-4,5-dimethyl-
Systematic Name English
2-tert-Butyl-4,5-dimethylphenol
Common Name English
2-(1,1-Dimethylethyl)-4,5-dimethylphenol
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
215-891-3
Created by admin on Sat Dec 16 20:02:13 GMT 2023 , Edited by admin on Sat Dec 16 20:02:13 GMT 2023
PRIMARY
CAS
1445-23-4
Created by admin on Sat Dec 16 20:02:13 GMT 2023 , Edited by admin on Sat Dec 16 20:02:13 GMT 2023
PRIMARY
FDA UNII
46RP8EDN7J
Created by admin on Sat Dec 16 20:02:13 GMT 2023 , Edited by admin on Sat Dec 16 20:02:13 GMT 2023
PRIMARY
PUBCHEM
74048
Created by admin on Sat Dec 16 20:02:13 GMT 2023 , Edited by admin on Sat Dec 16 20:02:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID00162733
Created by admin on Sat Dec 16 20:02:13 GMT 2023 , Edited by admin on Sat Dec 16 20:02:13 GMT 2023
PRIMARY
NIH
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